4-[[(2R,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[(2R,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxymethyl]benzoic acid Openeye Name: 4-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxymethyl]benzoic acid CAS Name: 4-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxymethyl]benzoic acid IUPAC Name: 4-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxymethyl]benzoic acid Traditional Name: 4-[[(2R,3S,5R)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxymethyl]benzoic acid Formula: C17H17FN2O7 MolecularWeight: 380.324483

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17FN2O7/c18-11-6-20(17(25)19-15(11)22)14-5-12(13(7-21)27-14)26-8-9-1-3-10(4-2-9)16(23)24/h1-4,6,12-14,21H,5,7-8H2,(H,23,24)(H,19,22,25)/t12-,13+,14+/m0/s1